N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

C15H20ClNO2 — CID 79904002

IUPACN-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cccc(Cl)c1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20ClNO2/c1-11-3-2-4-13(16)14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3
InChIKeyGPCDAMVSWAYRBN-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.40
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine

N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 79904002) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID79904002
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
SMILESCc1cccc(Cl)c1NC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20ClNO2/c1-11-3-2-4-13(16)14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3
InChIKeyGPCDAMVSWAYRBN-UHFFFAOYSA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898115
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
N-(2-chloro-6-methylphenyl)oxetan-3-amine
CID 66252135
N-(2,4-dimethylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897837
N-(2-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79897441
N-(2-bromo-6-chloro-4-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107611321
N-(2,4-dimethylphenyl)-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79898143
N-(4-chloro-3-fluorophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895150
N-(4-fluoro-3-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903956
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(4-chloro-2-iodophenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 107634963
N-phenyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897459

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine (CID 79904002) is N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is Cc1cccc(Cl)c1NC1CCOC2(CCOC2)C1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is GPCDAMVSWAYRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11-3-2-4-13(16)14(11)17-12-5-7-19-15(9-12)6-8-18-10-15/h2-4,12,17H,5-10H2,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine?
N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 281.78 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 79904002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).